Geometry & MOs

Info

ID:	245114
PubChem CID:	99437527
Reduced:	O4N5C24H27 (1)
Stoich.:	A4B5C24D27 (1)
Weight, g/mol:	432.190989
ΔH_f, kcal/mol:	-123.02
Dipole, Da:	4.09
IP(EA), eV:	-8.86(-0.75)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3R)-1-[4-[[4-(3-carbamoylpyrazol-1-yl)phenyl]carbamoyl]phenyl]piperidine-3-carboxamide

Drug info:

PubChemData

Smile

C1C[C@H](CN(C1)CC2=CC=C(C=C2)NC(=O)C3=CC=CC(=C3)CN4C(=O)CNC4=O)C(=O)N

DOS

IR

Vibrations